| SpectraBase Spectrum ID |
6krOIx0FtC1 |
| Name |
5-Fluoro PB-22 4-hydroxyisoquinoline isomer |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14549 |
| Lot Number |
0449708-5 |
| Apodization Function |
Triangular |
| Carrier Gas |
Nitrogen (1 mL/min) |
| Cell Type |
Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows |
| Copyright |
Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Detector |
MCT wideband |
| Formula |
C23H21FN2O2 |
| GC Column |
Supelco SPB-1 (1.8 m x 0.32 mm ID x 0.25 µm film thickness) |
| GC Oven Program |
180 °C (0.30 min hold) - 285 °C (10 °C/min) and 5 min hold |
| IUPAC Name |
Isoquinolin-4-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate |
| InChI |
InChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-10-4-5-11-21(19)26)23(27)28-22-15-25-14-17-8-2-3-9-18(17)22/h2-5,8-11,14-16H,1,6-7,12-13H2 |
| InChIKey |
XKNJEXJJFATFLE-UHFFFAOYSA-N |
| Inlet Type |
Splitless |
| Instrument Name |
HP 5890 Series II / HP 5965B (GC/IRD) |
| Instrument Properties |
Gram-Schmidt vector orthogonalization
number of basis vectors: 8
number of basis coadditions: 5
vector offset: 60 points
vector length: 100 points |
| Interferogram Mode Name |
Symmetry |
| Molecular Weight |
376.431 g/mol |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
Vapor Phase |
| UV - Neutral Conditions |
UVmax (nm): 215, 293 |
